Molecule

ID:132336

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₃NO₃
Molecular Mass
275.2237896
Exact Mass
275.07692791
Charge
0
InChI
InChI=1S/C12H12F3NO3/c1-19-10(17)9(16-11(18)12(13,14)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,16,18)
InChIKey
ZYMGRJXIRUWDLX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F
Isomeric Smiles
COC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
5.2835507
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8267955
LogD (pH = 7.4)
1.2566218
Log P
2.1746843
Molar Refractivity
60.3394
Polarizability
22.8174
Polar Surface Area
55.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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